2-{[4-(2-Chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl]methoxymethyl}-4-(2-phthalimidoethyl)thiazole

HCID 70044281
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Basic information

Standard SMILES
CCOC(=O)C1=C(COCc2nc(CCN3C(=O)c4ccccc4C3=O)cs2)NC(C)=C(C(=O)OC)C1c1ccccc1Cl
InChIKey
LRMQFHQVBKNMMQ-UHFFFAOYSA-N
Molecular formula
C32H30ClN3O7S
Average molar mass
636.1 g/mol
Monoisotopic mass
635.1492992

Names & identifiers

Preferred name
2-{[4-(2-Chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl]methoxymethyl}-4-(2-phthalimidoethyl)thiazole
IUPAC
3-O-ethyl 5-O-methyl 4-(2-chlorophenyl)-2-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]methoxymethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Names & synonyms

SCHEMBL7279674LRMQFHQVBKNMMQ-UHFFFAOYSA-N2-{[4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl]methoxymethyl}-4-(2-phthalimidoethyl)thiazole

Database identifiers

PubChem CID
70044281

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
152 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
13
Heavy atoms
44

Related reactions

1 records
New reaction record

Compound notes

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2-{[4-(2-Chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl]methoxymethyl}-4-(2-phthalimidoethyl)thiazole (HCID 70044281)｜Huagongshe